How to save sdf files in v3000 format?

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Andrew Orry

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Feb 3, 2025, 12:51:40 PM2/3/25
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Q. How to save sdf files in v3000 format?
A. 
The v3000 SDF format is an extended version of the standard Structure Data File (SDF) that supports complex molecular structures, including enhanced stereochemistry, larger molecules, and more flexible atom and bond attributes.

In ICM you can save an SDF file in v3000 format using the option - new

write table mol <T_tab> new “output_v3000.sdf”

This will be available in the GUI in the next ICM release.
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